DockMetrics
MOLECULAR DOCKING Inhibition Efficiency Index (IEI) and Selectivity Entropy Index (SEI)

Docking Result

CHEMBL259198_dpp4

Atoms: 171
Models: 9
Best Energy: -6.202 kcal/mol

Binding Energies:
  • Pose 1: -6.202 kcal/mol
  • Pose 2: -5.353 kcal/mol
  • Pose 3: -5.331 kcal/mol
  • Pose 4: -5.236 kcal/mol
  • Pose 5: -5.056 kcal/mol
  • Pose 6: -4.662 kcal/mol
  • Pose 7: -4.642 kcal/mol
  • Pose 8: -4.55 kcal/mol
  • Pose 9: -4.419 kcal/mol
CHEMBL259198_dpp4
Energy Plot
RMSD Scatter Plot